Chemical ID: 5281569

CCOC(=O)C1CCN(CC1)C(=O)c2cc3c(nc4c(cccn4c3=O)C)n(c2=N)Cc5cccnc5
Chemical ID:
5281569
Name [?]:
None
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)c2cc3c(nc4c(cccn4c3=O)C)n(c2=N)Cc5cccnc5
InChi [?]:
InChI=1/C27H28N6O4/c1-3-37-27(36)19-8-12-31(13-9-19)25(34)20-14-21-24(30-23-17(2)6-5-11-32(23)26(21)35)33(22(20)28)16-18-7-4-10-29-15-18/h4-7,10-11,14-15,19,28H,3,8-9,12-13,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,34,22,21,33,7,11,35,23,8,10,15,37,31,20,32,6,14,16,29,19,17,12,25,4,30,36,18,9,24,28,13,26,5,3/E:(8,9)(12,13)/rA:37nCCOCOCCCNCCCOCCCCNCCCCCNCOCNCNCCCCCNC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;d14;s15;d16;s17;d18;s19;d20;s21;d22;s19s23;s16s24;d25;s20;s17;s14s28;w29;s28;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N6O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:13.0791
Area:718.197
Solvation:-4.87582
Coulombic:-79.3954
Bond Count [?]
All:41
Single:29
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:500.549
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.29
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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